Cyanocycline B
TL;DR: Cyanocycline B (CAS 152053-14-0) is a chemical compound with molecular formula C21H24N4O5 and molecular weight 412.17468 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,3R)-16-(hydroxymethyl)-13-methoxy-12-methyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.03,19.04,8.09,18.010,15]henicosa-10(15),12-diene-21-carbonitrile
Also Known As: Cyanocycline B, (1R,3R)-16-(Hydroxymethyl)-13-methoxy-12-methyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.03,19.04,8.09,18.010,15]henicosa-10(15),12-diene-21-carbonitrile, (4R,6R)-9-(Hydroxymethyl)-11-methoxy-12-methyl-10,13-dioxo-1,2,3a,4,4a,6,7,9,10,13,13b,13c-dodecahydro-5H-4,6-methanobenzo[h][1,3]oxazolo[3,2-a]pyrazino[3,2,1-de][1,5]naphthyridine-7-carbonitrile, 4,6-Methano-5H-benz(h)oxazolo(3,2-a)pyrazino(3,2,1-de)(1,5)naphthyridine-7-carbonitrile, 1,2,3a,4,4a,6,7,9,10,13,13b,13c-dodecahydro-9-(hydroxymethyl)-11-methoxy-12-methyl-10,13-dioxo-, (3aS-(3aalpha,4alpha,4abeta,6alpha,7beta,9alpha,13bbeta,13cbeta))-, 9-(Hydroxymethyl)-11-methoxy-12-methyl-10,13-dioxo-1,2,3a,4,4a,6,7,9,10,13,13b,13c-dodecahydro-5H-4,6-methanobenzo[h][1,3]oxazolo[3,2-a]pyrazino[3,2,1-de][1,5]naphthyridine-7-carbonitrile
Technical Specifications
| Molecular Formula | C21H24N4O5 |
| Molecular Weight | 412.17468 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 412.17468 Da |
| Heavy Atoms | 30 |
| Complexity | 979.0 |
| SMILES | CC1=C(C(=O)C2=C(C1=O)C3C4C5[C@@H](C[C@@H](N5)C(N4C2CO)C#N)C6N3CCO6)OC |
| InChIKey | UVAIYWZSCCGGSE-KWKRCTCSSA-N |
Chemical Property Profile of Cyanocycline B
Property Insights of Cyanocycline B
The XLogP value of -1.2 indicates that Cyanocycline B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyanocycline B. Following Lipinski's Rule of Five, Cyanocycline B has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Cyanocycline B?
The CAS number of Cyanocycline B is 152053-14-0.
What is the molecular formula of Cyanocycline B?
The molecular formula of Cyanocycline B is C21H24N4O5.
What is the molecular weight of Cyanocycline B?
The molecular weight of Cyanocycline B is 412.17468 g/mol.
Where can I buy Cyanocycline B?
You can request a quote for Cyanocycline B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyanocycline B?
Yes, CoreyChem provides custom synthesis services for Cyanocycline B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.